Stat6-IN-4

Name: Stat6-IN-4 — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₉H₂₇F₃N₆O₄ — CID 171714309

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[4-(1,3-dimethyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-(2-methoxyethyl)-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)indole-7-carboxamide

SMILESCOCCn1c(-c2ccc(-n3c(C)nn(C)c3=O)cc2)cc2cc(C(F)(F)F)cc(C(=O)Nc3cccc(OC)n3)c21

InChIInChI=1S/C29H27F3N6O4/c1-17-35-36(2)28(40)38(17)21-10-8-18(9-11-21)23-15-19-14-20(29(30,31)32)16-22(26(19)37(23)12-13-41-3)27(39)34-24-6-5-7-25(33-24)42-4/h5-11,14-16H,12-13H2,1-4H3,(H,33,34,39)

InChIKeyTVHJSRZCIRYGQC-UHFFFAOYSA-N

MW580.57 g/mol

LogP4.82

Rot. Bonds8

About Stat6-IN-4

Stat6-IN-4 (PubChem CID 171714309) has the molecular formula C₂₉H₂₇F₃N₆O₄ and a molecular weight of 580.57 g/mol. Its IUPAC name is 2-[4-(1,3-dimethyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-(2-methoxyethyl)-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)indole-7-carboxamide.

Molecular Properties

Compound Name	Stat6-IN-4
PubChem CID	171714309
Molecular Formula	C₂₉H₂₇F₃N₆O₄
Molecular Weight	580.57 g/mol
Exact Mass	580.20
IUPAC Name	2-[4-(1,3-dimethyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-(2-methoxyethyl)-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)indole-7-carboxamide
SMILES	COCCn1c(-c2ccc(-n3c(C)nn(C)c3=O)cc2)cc2cc(C(F)(F)F)cc(C(=O)Nc3cccc(OC)n3)c21
InChI	InChI=1S/C29H27F3N6O4/c1-17-35-36(2)28(40)38(17)21-10-8-18(9-11-21)23-15-19-14-20(29(30,31)32)16-22(26(19)37(23)12-13-41-3)27(39)34-24-6-5-7-25(33-24)42-4/h5-11,14-16H,12-13H2,1-4H3,(H,33,34,39)
InChIKey	TVHJSRZCIRYGQC-UHFFFAOYSA-N
XLogP	4.82
TPSA	105.20 Å²
H-Bond Donors	1
H-Bond Acceptors	9
Rotatable Bonds	8
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.57
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of Stat6-IN-4?

The IUPAC name of Stat6-IN-4 (CID 171714309) is 2-[4-(1,3-dimethyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-(2-methoxyethyl)-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)indole-7-carboxamide.

What is the SMILES notation for Stat6-IN-4?

The canonical SMILES for Stat6-IN-4 is COCCn1c(-c2ccc(-n3c(C)nn(C)c3=O)cc2)cc2cc(C(F)(F)F)cc(C(=O)Nc3cccc(OC)n3)c21.

What is the InChIKey of Stat6-IN-4?

The InChIKey is TVHJSRZCIRYGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N6O4/c1-17-35-36(2)28(40)38(17)21-10-8-18(9-11-21)23-15-19-14-20(29(30,31)32)16-22(26(19)37(23)12-13-41-3)27(39)34-24-6-5-7-25(33-24)42-4/h5-11,14-16H,12-13H2,1-4H3,(H,33,34,39).

What are the key properties of Stat6-IN-4?

Stat6-IN-4 has a molecular weight of 580.57 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for Stat6-IN-4 is sourced from PubChem (CID 171714309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 171714309 — identifiers, structure, computed properties (public domain)

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